2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine

C12H15ClN4 — CID 62131019

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
SMILESCc1nn(C(CN)c2ccccn2)c(C)c1Cl
InChIInChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11(7-14)10-5-3-4-6-15-10/h3-6,11H,7,14H2,1-2H3
InChIKeyFYAARRKMEODVEH-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.10
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine (PubChem CID 62131019) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
PubChem CID62131019
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
SMILESCc1nn(C(CN)c2ccccn2)c(C)c1Cl
InChIInChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11(7-14)10-5-3-4-6-15-10/h3-6,11H,7,14H2,1-2H3
InChIKeyFYAARRKMEODVEH-UHFFFAOYSA-N
XLogP2.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine (CID 62131019) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine is Cc1nn(C(CN)c2ccccn2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The InChIKey is FYAARRKMEODVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-12(13)9(2)17(16-8)11(7-14)10-5-3-4-6-15-10/h3-6,11H,7,14H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine has a molecular weight of 250.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62131019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).